CID 4738088

4-chloro-2-phenylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C12H7ClN2S
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CS3)C(=N2)Cl
InChI
InChI=1S/C12H7ClN2S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-7H
InChIKey
BTXLJGJCKQEAGU-UHFFFAOYSA-N
Compound name
4-chloro-2-phenylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00185 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.009126 148.7
[M+Na]+ 268.991068 162.2
[M-H]- 244.994574 155.0
[M+NH4]+ 264.035673 168.2
[M+K]+ 284.965008 155.6
[M+H-H2O]+ 228.999110 142.0
[M+HCOO]- 291.000051 163.7
[M+CH3COO]- 305.015701 162.7
[M+Na-2H]- 266.976516 153.9
[M]+ 246.00130142 154.4
[M]- 246.00239858 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.